Molecule ID: mol4809

SMILES: Cc1ncnc2c1N(C=O)CCN2

InChI: InChI=1S/C8H10N4O/c1-6-7-8(11-4-10-6)9-2-3-12(7)5-13/h4-5H,2-3H2,1H3,(H,9,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.42 IUPAC digitized pKa 1 » 0
5.45 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization